3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide

C30H38N6O3 — CID 143144400

IUPAC3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccc(CN(N)/C=C\N)c3ccccc23)c(C(=O)NCC2CCCCC2)n1
InChIInChI=1S/C30H38N6O3/c1-2-18-39-27-15-14-26(28(35-27)30(38)33-19-21-8-4-3-5-9-21)34-29(37)25-13-12-22(20-36(32)17-16-31)23-10-6-7-11-24(23)25/h6-7,10-17,21H,2-5,8-9,18-20,31-32H2,1H3,(H,33,38)(H,34,37)/b17-16-
InChIKeyHMODGDMTXKXTAO-MSUUIHNZSA-N
MW530.67 g/mol
LogP4.69
Rot. Bonds11

About 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide

3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide (PubChem CID 143144400) has the molecular formula C30H38N6O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide
PubChem CID143144400
Molecular FormulaC30H38N6O3
Molecular Weight530.67 g/mol
Exact Mass530.30
IUPAC Name3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccc(CN(N)/C=C\N)c3ccccc23)c(C(=O)NCC2CCCCC2)n1
InChIInChI=1S/C30H38N6O3/c1-2-18-39-27-15-14-26(28(35-27)30(38)33-19-21-8-4-3-5-9-21)34-29(37)25-13-12-22(20-36(32)17-16-31)23-10-6-7-11-24(23)25/h6-7,10-17,21H,2-5,8-9,18-20,31-32H2,1H3,(H,33,38)(H,34,37)/b17-16-
InChIKeyHMODGDMTXKXTAO-MSUUIHNZSA-N
XLogP4.69
TPSA135.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide?
The IUPAC name of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide (CID 143144400) is 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide.
What is the SMILES notation for 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide?
The canonical SMILES for 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide is CCCOc1ccc(NC(=O)c2ccc(CN(N)/C=C\N)c3ccccc23)c(C(=O)NCC2CCCCC2)n1.
What is the InChIKey of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide?
The InChIKey is HMODGDMTXKXTAO-MSUUIHNZSA-N. The full InChI is InChI=1S/C30H38N6O3/c1-2-18-39-27-15-14-26(28(35-27)30(38)33-19-21-8-4-3-5-9-21)34-29(37)25-13-12-22(20-36(32)17-16-31)23-10-6-7-11-24(23)25/h6-7,10-17,21H,2-5,8-9,18-20,31-32H2,1H3,(H,33,38)(H,34,37)/b17-16-.
What are the key properties of 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide?
3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide has a molecular weight of 530.67 g/mol, XLogP of 4.69, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide is sourced from PubChem (CID 143144400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).